SCHEMBL3907696

SCHEMBL3907696

CCOC(=O)COc1c(C(=O)OC)sc(Br)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.40
TSHR P16473 3/20 0.39
GAA P10253 4/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.37
PTPN1 P18031 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3911917 0.89 PTPN1 (0.49) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL13867978 0.84 PTPN1 (0.53) ALDH1A1KMT2AMEN1MAPTHSD17B10
SCHEMBL4120964 0.79 KMT2A (0.42) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL3915170 0.77 GRM6 (0.48) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL3908336 0.76 PTPN1 (0.43) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL4136002 0.75 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL13867883 0.74 PTPN1 (0.51) PTPN1
SCHEMBL3919195 0.74 ADORA3 (0.44) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL3919191 0.74 ADORA3 (0.44) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL6266960 0.74 PTPN1 (0.68) ALDH1A1CYP1A2CYP2C19TSHRPTPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM ALDH1A1 2158/4885KMT2A 2996/4885MEN1 4677/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.